4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid

C11H11N3O3S2 — CID 104893000

IUPAC4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid
SMILESCc1cnc(C(C)NC(=O)c2csc(C(=O)O)n2)s1
InChIInChI=1S/C11H11N3O3S2/c1-5-3-12-9(19-5)6(2)13-8(15)7-4-18-10(14-7)11(16)17/h3-4,6H,1-2H3,(H,13,15)(H,16,17)
InChIKeyNZOUVVDBAKQQED-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.10
Rot. Bonds4

About 4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid

4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 104893000) has the molecular formula C11H11N3O3S2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid
PubChem CID104893000
Molecular FormulaC11H11N3O3S2
Molecular Weight297.36 g/mol
Exact Mass297.02
IUPAC Name4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid
SMILESCc1cnc(C(C)NC(=O)c2csc(C(=O)O)n2)s1
InChIInChI=1S/C11H11N3O3S2/c1-5-3-12-9(19-5)6(2)13-8(15)7-4-18-10(14-7)11(16)17/h3-4,6H,1-2H3,(H,13,15)(H,16,17)
InChIKeyNZOUVVDBAKQQED-UHFFFAOYSA-N
XLogP2.10
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrimidine-4-carboxylic acid
CID 139564980
2,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 113251802
5-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 104607848
N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 164637842
3,5-dibromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103908469
(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119898126
4-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 82110975
5-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 112697622
2-[(1S)-1-[[2-[(1S)-1-aminoethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
CID 16720895
2-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid
CID 146107303
2-hydroxy-4-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 115681589
4-cyano-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112697308

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid (CID 104893000) is 4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid is Cc1cnc(C(C)NC(=O)c2csc(C(=O)O)n2)s1.
What is the InChIKey of 4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is NZOUVVDBAKQQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S2/c1-5-3-12-9(19-5)6(2)13-8(15)7-4-18-10(14-7)11(16)17/h3-4,6H,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid?
4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 104893000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).